426660

Source:http://linkedlifedata.com/resource/chembl/compound/426660

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:426660_Nilotinib_INN, synonym:426660_Tasigna_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
chemicalCompound:standardIn...	HHZIURLSWUIHRB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F
chemicalCompound:molecularF...	C28H22F3N7O
chemicalCompound:moleculeId	426660
chemicalCompound:mwFreebase	529.516
chemicalCompound:alogp	4.447
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.62
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.943
chemicalCompound:acdLogP	4.418
chemicalCompound:acdLogD	4.41
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	529.516
chemicalCompound:acdMostBpk...	5.635
chemicalCompound:chemblId	CHEMBL255863
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:526660
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	NILOTINIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:52172
chemicalCompound:firstAppro...	2007
chemicalCompound:activity	activity:2122566, activity:2150097, activity:2654020, activity:2654021, activity:2692389, activity:2692390, activity:2692391, activity:2692392, activity:2692393, activity:2692394, activity:2692395, activity:2692396, activity:2692397, activity:2692398, activity:2692399, activity:2692400, activity:2692401, activity:3186247, activity:3186251, activity:3186272, activity:3471370, activity:3471371, activity:3471372, activity:3471373, activity:3471374, activity:3471375, activity:3471376, activity:3471377, activity:3471378, activity:3471379, activity:3471380, activity:3471381, activity:3471382, activity:3471383, activity:6159339, activity:6159354, activity:6159369, activity:6159384, activity:7594444, activity:7594445, activity:7594446, activity:7594447, activity:7594448, activity:7594449, activity:7594450, activity:7594451, activity:7594452, activity:7594453, activity:7594454, activity:7594455, activity:7594456, activity:7594457, activity:7594458, activity:7594459, activity:7594460, activity:7594461, activity:7594462, activity:7594463, activity:7594464, activity:7594465, activity:7594466